CID 534235

(2,2-dimethylcyclopropyl)methanol

Structural Information

Molecular Formula
C6H12O
SMILES
CC1(CC1CO)C
InChI
InChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3
InChIKey
HCRFKZNNRFJHKW-UHFFFAOYSA-N
Compound name
(2,2-dimethylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

100.08881 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 119.3
[M+Na]+ 123.07803 129.7
[M-H]- 99.081534 123.6
[M+NH4]+ 118.12263 139.4
[M+K]+ 139.05197 128.7
[M+H-H2O]+ 83.086070 115.7
[M+HCOO]- 145.08701 141.9
[M+CH3COO]- 159.10266 169.6
[M+Na-2H]- 121.06348 127.1
[M]+ 100.08826 122.2
[M]- 100.08936 122.2
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

patents stripe