CID 83151608

2-cyclopropyl-2-methylpropan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)(CO)C1CC1
InChI
InChI=1S/C7H14O/c1-7(2,5-8)6-3-4-6/h6,8H,3-5H2,1-2H3
InChIKey
YIKMOVUMRQAOIK-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 123.8
[M+Na]+ 137.093678 132.6
[M-H]- 113.097184 127.3
[M+NH4]+ 132.138283 141.3
[M+K]+ 153.067618 130.9
[M+H-H2O]+ 97.101720 119.0
[M+HCOO]- 159.102661 145.0
[M+CH3COO]- 173.118311 172.1
[M+Na-2H]- 135.079126 131.2
[M]+ 114.10391142 125.8
[M]- 114.10500858 125.8
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