CID 137995

Cyclopropane, (1-methylethyl)-

Structural Information

Molecular Formula
C6H12
SMILES
CC(C)C1CC1
InChI
InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3
InChIKey
HPBROFGYTXOJIO-UHFFFAOYSA-N
Compound name
propan-2-ylcyclopropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

5611
Patents

84.0939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 116.2
[M+Na]+ 107.08312 125.1
[M-H]- 83.086624 121.1
[M+NH4]+ 102.12772 135.4
[M+K]+ 123.05706 124.5
[M+H-H2O]+ 67.091160 110.9
[M+HCOO]- 129.09210 139.5
[M+CH3COO]- 143.10775 170.6
[M+Na-2H]- 105.06857 122.9
[M]+ 84.093351 118.0
[M]- 84.094449 118.0
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