CID 40984

Camiverine

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CC(C)CCOC(=O)C(C1=CC=CC=C1)NCCN2CCCC2
InChI
InChI=1S/C19H30N2O2/c1-16(2)10-15-23-19(22)18(17-8-4-3-5-9-17)20-11-14-21-12-6-7-13-21/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3
InChIKey
HKVGEMSALZULPM-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-phenyl-2-(2-pyrrolidin-1-ylethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23802 182.0
[M+Na]+ 341.21996 182.6
[M-H]- 317.22346 185.4
[M+NH4]+ 336.26456 195.5
[M+K]+ 357.19390 180.0
[M+H-H2O]+ 301.22800 172.7
[M+HCOO]- 363.22894 199.9
[M+CH3COO]- 377.24459 210.1
[M+Na-2H]- 339.20541 179.7
[M]+ 318.23019 180.7
[M]- 318.23129 180.7
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