CID 520261

4-methylheptadecane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

254.29735 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.30463 174.3
[M+Na]+ 277.28657 176.4
[M-H]- 253.29007 172.5
[M+NH4]+ 272.33117 191.7
[M+K]+ 293.26051 173.5
[M+H-H2O]+ 237.29461 167.9
[M+HCOO]- 299.29555 193.1
[M+CH3COO]- 313.31120 204.5
[M+Na-2H]- 275.27202 173.7
[M]+ 254.29680 179.5
[M]- 254.29790 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