CID 73830

1-methylcyclopentanol

Structural Information

Molecular Formula
C6H12O
SMILES
CC1(CCCC1)O
InChI
InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3
InChIKey
CAKWRXVKWGUISE-UHFFFAOYSA-N
Compound name
1-methylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5201
Patents

100.08881 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 120.3
[M+Na]+ 123.078028 127.3
[M-H]- 99.081534 122.5
[M+NH4]+ 118.122633 146.5
[M+K]+ 139.051968 126.6
[M+H-H2O]+ 83.086070 116.7
[M+HCOO]- 145.087011 142.3
[M+CH3COO]- 159.102661 162.1
[M+Na-2H]- 121.063476 126.5
[M]+ 100.08826142 116.7
[M]- 100.08935858 116.7
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