CID 91987578

Dtxsid901227248

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1=CC=CC=C1NC(=O)C=C(C)N2CCCC2
InChI
InChI=1S/C15H20N2O/c1-12-7-3-4-8-14(12)16-15(18)11-13(2)17-9-5-6-10-17/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKey
WSKXWVYETGQVQQ-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-3-pyrrolidin-1-ylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 159.7
[M+Na]+ 267.146778 163.9
[M-H]- 243.150284 164.3
[M+NH4]+ 262.191383 176.8
[M+K]+ 283.120718 160.5
[M+H-H2O]+ 227.154820 151.7
[M+HCOO]- 289.155761 180.0
[M+CH3COO]- 303.171411 194.9
[M+Na-2H]- 265.132226 160.0
[M]+ 244.15701142 155.8
[M]- 244.15810858 155.8
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.