CID 54149

78205-29-5

Structural Information

Molecular Formula
C11H13N3O
SMILES
C1CC(=NC1)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3O/c15-11(9-5-2-1-3-6-9)14-13-10-7-4-8-12-10/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)
InChIKey
FRBGBWIKHGXGJC-UHFFFAOYSA-N
Compound name
N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 143.5
[M+Na]+ 226.09509 148.7
[M-H]- 202.09859 148.7
[M+NH4]+ 221.13969 161.9
[M+K]+ 242.06903 146.1
[M+H-H2O]+ 186.10313 135.3
[M+HCOO]- 248.10407 168.5
[M+CH3COO]- 262.11972 185.7
[M+Na-2H]- 224.08054 149.4
[M]+ 203.10532 139.8
[M]- 203.10642 139.8
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.