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]+ 115.11174 123.8
[M+Na]+ 137.09368 132.6
[M-H]- 113.09718 127.3
[M+NH4]+ 132.13828 141.3
[M+K]+ 153.06762 130.9
[M+H-H2O]+ 97.101720 119.0
[M+HCOO]- 159.10266 145.0
[M+CH3COO]- 173.11831 172.1
[M+Na-2H]- 135.07913 131.2
[M]+ 114.10391 125.8
[M]- 114.10501 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