CID 18331273

177908-37-1

Structural Information

Molecular Formula
C7H15NO
SMILES
CC1(CCC(CC1)N)O
InChI
InChI=1S/C7H15NO/c1-7(9)4-2-6(8)3-5-7/h6,9H,2-5,8H2,1H3
InChIKey
KUKASNZJTIKRMH-UHFFFAOYSA-N
Compound name
4-amino-1-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

873
Patents

129.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.1
[M+Na]+ 152.10459 133.8
[M-H]- 128.10809 129.6
[M+NH4]+ 147.14919 151.0
[M+K]+ 168.07853 132.5
[M+H-H2O]+ 112.11263 123.9
[M+HCOO]- 174.11357 148.0
[M+CH3COO]- 188.12922 170.6
[M+Na-2H]- 150.09004 133.5
[M]+ 129.11482 121.4
[M]- 129.11592 121.4
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