CID 301459

2-cyclopropylpropan-2-ol

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

293
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 122.0
[M+Na]+ 123.07803 133.8
[M+NH4]+ 118.12263 131.2
[M+K]+ 139.05197 130.5
[M-H]- 99.081534 129.3
[M+Na-2H]- 121.06348 129.8
[M]+ 100.08826 126.8
[M]- 100.08936 126.8
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