CID 519606

9-methylheptadecane

Structural Information

Molecular Formula
C18H38
SMILES
CCCCCCCCC(C)CCCCCCCC
InChI
InChI=1S/C18H38/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3
InChIKey
LUUWKCSVACCBSJ-UHFFFAOYSA-N
Compound name
9-methylheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3560
Patents

254.29735 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.304626 174.3
[M+Na]+ 277.286568 176.4
[M-H]- 253.290074 172.5
[M+NH4]+ 272.331173 191.7
[M+K]+ 293.260508 173.5
[M+H-H2O]+ 237.294610 167.9
[M+HCOO]- 299.295551 193.1
[M+CH3COO]- 313.311201 204.5
[M+Na-2H]- 275.272016 173.7
[M]+ 254.29680142 179.5
[M]- 254.29789858 179.5
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