CID 80559136

4-amino-1-cyclopropylcyclohexan-1-ol

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC1C2(CCC(CC2)N)O
InChI
InChI=1S/C9H17NO/c10-8-3-5-9(11,6-4-8)7-1-2-7/h7-8,11H,1-6,10H2
InChIKey
ICWOORLJGLNJSQ-UHFFFAOYSA-N
Compound name
4-amino-1-cyclopropylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.13101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 132.5
[M+Na]+ 178.12023 139.4
[M-H]- 154.12373 138.0
[M+NH4]+ 173.16483 149.3
[M+K]+ 194.09417 137.3
[M+H-H2O]+ 138.12827 127.6
[M+HCOO]- 200.12921 152.1
[M+CH3COO]- 214.14486 178.8
[M+Na-2H]- 176.10568 137.7
[M]+ 155.13046 128.4
[M]- 155.13156 128.4
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