CID 139591504

(z)-hexadec-9-enenitrile

Structural Information

Molecular Formula
C16H29N
SMILES
CCCCCC/C=C\CCCCCCCC#N
InChI
InChI=1S/C16H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8H,2-6,9-15H2,1H3/b8-7-
InChIKey
OWIIMTXNVHAYFW-FPLPWBNLSA-N
Compound name
(Z)-hexadec-9-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

235.23 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.237276 156.5
[M+Na]+ 258.219218 162.4
[M-H]- 234.222724 156.0
[M+NH4]+ 253.263823 173.1
[M+K]+ 274.193158 158.8
[M+H-H2O]+ 218.227260 144.2
[M+HCOO]- 280.228201 174.4
[M+CH3COO]- 294.243851 207.9
[M+Na-2H]- 256.204666 159.1
[M]+ 235.22945142 155.7
[M]- 235.23054858 155.7
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