CID 301459

930-39-2

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C)(C1CC1)O
InChI
InChI=1S/C6H12O/c1-6(2,7)5-3-4-5/h5,7H,3-4H2,1-2H3
InChIKey
ITQVACMQJLOIDS-UHFFFAOYSA-N
Compound name
2-cyclopropylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

100.08881 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 119.5
[M+Na]+ 123.07803 128.7
[M-H]- 99.081534 123.2
[M+NH4]+ 118.12263 137.5
[M+K]+ 139.05197 127.3
[M+H-H2O]+ 83.086070 114.9
[M+HCOO]- 145.08701 141.0
[M+CH3COO]- 159.10266 169.2
[M+Na-2H]- 121.06348 127.4
[M]+ 100.08826 121.1
[M]- 100.08936 121.1
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