CID 24361

Pyrrocaine

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2
InChI
InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)
InChIKey
OYCGKECKIVYHTN-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

3527
Patents

232.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.3
[M+Na]+ 255.146778 160.8
[M-H]- 231.150284 160.3
[M+NH4]+ 250.191383 173.4
[M+K]+ 271.120718 157.8
[M+H-H2O]+ 215.154820 147.6
[M+HCOO]- 277.155761 176.8
[M+CH3COO]- 291.171411 193.7
[M+Na-2H]- 253.132226 156.7
[M]+ 232.15701142 152.9
[M]- 232.15810858 152.9
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.