CID 23008729

2-(3-aminopropyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(C(C1)CCCN)O
InChI
InChI=1S/C9H19NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8-9,11H,1-7,10H2
InChIKey
BJYNTHACALEJGC-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.4
[M+Na]+ 180.135888 141.3
[M-H]- 156.139394 138.2
[M+NH4]+ 175.180493 157.1
[M+K]+ 196.109828 139.3
[M+H-H2O]+ 140.143930 131.8
[M+HCOO]- 202.144871 156.7
[M+CH3COO]- 216.160521 177.1
[M+Na-2H]- 178.121336 140.6
[M]+ 157.14612142 131.1
[M]- 157.14721858 131.1
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