CID 18734931

2-[4-(aminomethyl)cyclohexyl]propan-2-ol

Structural Information

Molecular Formula
C10H21NO
SMILES
CC(C)(C1CCC(CC1)CN)O
InChI
InChI=1S/C10H21NO/c1-10(2,12)9-5-3-8(7-11)4-6-9/h8-9,12H,3-7,11H2,1-2H3
InChIKey
FGOMSYAAKQLLGZ-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)cyclohexyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

171.16231 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 141.7
[M+Na]+ 194.151528 145.7
[M-H]- 170.155034 142.6
[M+NH4]+ 189.196133 161.0
[M+K]+ 210.125468 143.9
[M+H-H2O]+ 154.159570 136.7
[M+HCOO]- 216.160511 159.1
[M+CH3COO]- 230.176161 180.5
[M+Na-2H]- 192.136976 145.1
[M]+ 171.16176142 135.4
[M]- 171.16285858 135.4
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