CID 138125

1,1,2-trimethylcyclopropane

Structural Information

Molecular Formula
C6H12
SMILES
CC1CC1(C)C
InChI
InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3
InChIKey
BXIIJPAVISPOGI-UHFFFAOYSA-N
Compound name
1,1,2-trimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2763
Patents

84.0939 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 115.6
[M+Na]+ 107.08312 126.3
[M-H]- 83.086624 121.3
[M+NH4]+ 102.12772 137.1
[M+K]+ 123.05706 126.2
[M+H-H2O]+ 67.091160 111.8
[M+HCOO]- 129.09210 139.5
[M+CH3COO]- 143.10775 170.4
[M+Na-2H]- 105.06857 123.9
[M]+ 84.093351 118.8
[M]- 84.094449 118.8
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