CID 56936172

3,7,11-trimethylheptacosane

Structural Information

Molecular Formula
C30H62
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CC
InChI
InChI=1S/C30H62/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(4)26-22-27-30(5)25-21-24-28(3)7-2/h28-30H,6-27H2,1-5H3
InChIKey
QVGGKRPICGQKFP-UHFFFAOYSA-N
Compound name
3,7,11-trimethylheptacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.48514 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.49242 229.2
[M+Na]+ 445.47436 225.9
[M-H]- 421.47786 225.0
[M+NH4]+ 440.51896 230.4
[M+K]+ 461.44830 220.6
[M+H-H2O]+ 405.48240 220.7
[M+HCOO]- 467.48334 234.2
[M+CH3COO]- 481.49899 241.1
[M+Na-2H]- 443.45981 219.5
[M]+ 422.48459 237.6
[M]- 422.48569 237.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.