CID 20841368

13-docosen-1-amine, (13z)-

Structural Information

Molecular Formula
C22H45N
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCN
InChI
InChI=1S/C22H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10H,2-8,11-23H2,1H3/b10-9-
InChIKey
SYWDPPFYAMFYQQ-KTKRTIGZSA-N
Compound name
(Z)-docos-13-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

630
Patents

323.3552 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.36248 193.4
[M+Na]+ 346.34442 193.4
[M-H]- 322.34792 190.0
[M+NH4]+ 341.38902 207.3
[M+K]+ 362.31836 188.0
[M+H-H2O]+ 306.35246 185.6
[M+HCOO]- 368.35340 212.4
[M+CH3COO]- 382.36905 218.2
[M+Na-2H]- 344.32987 191.1
[M]+ 323.35465 198.1
[M]- 323.35575 198.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe