CID 53255491

Trans-2-(4-amino-cyclohexyl)-propan-2-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C1CCC(CC1)N)O
InChI
InChI=1S/C9H19NO/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,11H,3-6,10H2,1-2H3
InChIKey
IUGMKNUWVITXNR-UHFFFAOYSA-N
Compound name
2-(4-aminocyclohexyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

157.14667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.2
[M+Na]+ 180.13589 141.6
[M-H]- 156.13939 138.3
[M+NH4]+ 175.18049 157.0
[M+K]+ 196.10983 140.0
[M+H-H2O]+ 140.14393 132.4
[M+HCOO]- 202.14487 154.9
[M+CH3COO]- 216.16052 177.5
[M+Na-2H]- 178.12134 141.1
[M]+ 157.14612 130.5
[M]- 157.14722 130.5
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