CID 107151

3690-18-4

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC(CC(=O)NC1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C14H20N2O/c1-12(16-9-5-6-10-16)11-14(17)15-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,15,17)
InChIKey
IYKDWKLABAJFHA-UHFFFAOYSA-N
Compound name
N-phenyl-3-pyrrolidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

232.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 156.1
[M+Na]+ 255.146778 159.3
[M-H]- 231.150284 160.4
[M+NH4]+ 250.191383 173.4
[M+K]+ 271.120718 156.8
[M+H-H2O]+ 215.154820 147.8
[M+HCOO]- 277.155761 176.5
[M+CH3COO]- 291.171411 192.3
[M+Na-2H]- 253.132226 157.6
[M]+ 232.15701142 152.2
[M]- 232.15810858 152.2
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

patents stripe