CID 141995

2-methyloctadec-7-ene

Structural Information

Molecular Formula
C19H38
SMILES
CCCCCCCCCCC=CCCCCC(C)C
InChI
InChI=1S/C19H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h13-14,19H,4-12,15-18H2,1-3H3
InChIKey
XDBKLFODBADBED-UHFFFAOYSA-N
Compound name
2-methyloctadec-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

148
Patents

266.29736 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.304636 177.3
[M+Na]+ 289.286578 179.3
[M-H]- 265.290084 175.3
[M+NH4]+ 284.331183 194.2
[M+K]+ 305.260518 175.5
[M+H-H2O]+ 249.294620 170.8
[M+HCOO]- 311.295561 196.0
[M+CH3COO]- 325.311211 205.9
[M+Na-2H]- 287.272026 176.2
[M]+ 266.29681142 182.1
[M]- 266.29790858 182.1
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