CID 28121865

72342-85-9

Structural Information

Molecular Formula
C7H15NO
SMILES
CO[C@@H]1CCCC[C@@H]1N
InChI
InChI=1S/C7H15NO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKey
NBWFBXBZOBXMHO-NKWVEPMBSA-N
Compound name
(1S,2R)-2-methoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 127.7
[M+Na]+ 152.10459 132.9
[M-H]- 128.10809 130.3
[M+NH4]+ 147.14919 149.3
[M+K]+ 168.07853 132.3
[M+H-H2O]+ 112.11263 122.3
[M+HCOO]- 174.11357 149.2
[M+CH3COO]- 188.12922 173.6
[M+Na-2H]- 150.09004 132.5
[M]+ 129.11482 122.6
[M]- 129.11592 122.6
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