CID 17039367

109647-95-2

Structural Information

Molecular Formula
C9H19NO
SMILES
C1CCC(CC1)C(CCO)N
InChI
InChI=1S/C9H19NO/c10-9(6-7-11)8-4-2-1-3-5-8/h8-9,11H,1-7,10H2
InChIKey
INIIZXNMNKIITF-UHFFFAOYSA-N
Compound name
3-amino-3-cyclohexylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

157.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 138.3
[M+Na]+ 180.13589 141.0
[M-H]- 156.13939 138.7
[M+NH4]+ 175.18049 157.5
[M+K]+ 196.10983 139.4
[M+H-H2O]+ 140.14393 132.5
[M+HCOO]- 202.14487 156.5
[M+CH3COO]- 216.16052 176.8
[M+Na-2H]- 178.12134 140.8
[M]+ 157.14612 130.9
[M]- 157.14722 130.9
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