CID 6480432

1-pyrrolidineacetic acid, phenacylidenehydrazide, hydrochloride

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1CCN(C1)CC(=O)N/N=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2/c18-13(12-6-2-1-3-7-12)10-15-16-14(19)11-17-8-4-5-9-17/h1-3,6-7,10H,4-5,8-9,11H2,(H,16,19)/b15-10+
InChIKey
TWTGFGWWMPWEHG-XNTDXEJSSA-N
Compound name
N-[(E)-phenacylideneamino]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.9
[M+Na]+ 282.12130 163.1
[M-H]- 258.12480 165.5
[M+NH4]+ 277.16590 176.1
[M+K]+ 298.09524 160.9
[M+H-H2O]+ 242.12934 150.8
[M+HCOO]- 304.13028 183.4
[M+CH3COO]- 318.14593 199.6
[M+Na-2H]- 280.10675 162.5
[M]+ 259.13153 157.1
[M]- 259.13263 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.