CID 54368474

4-(propan-2-yloxy)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)OC1CCC(CC1)N
InChI
InChI=1S/C9H19NO/c1-7(2)11-9-5-3-8(10)4-6-9/h7-9H,3-6,10H2,1-2H3
InChIKey
VIBZEOYMXOCRTD-UHFFFAOYSA-N
Compound name
4-propan-2-yloxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

157.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 137.4
[M+Na]+ 180.135888 141.5
[M-H]- 156.139394 139.7
[M+NH4]+ 175.180493 157.8
[M+K]+ 196.109828 140.9
[M+H-H2O]+ 140.143930 131.7
[M+HCOO]- 202.144871 157.2
[M+CH3COO]- 216.160521 180.6
[M+Na-2H]- 178.121336 139.8
[M]+ 157.14612142 132.4
[M]- 157.14721858 132.4
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