CID 167718097

Rac-1-[(1r,2s)-2-(tert-butoxy)cyclobutyl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)O[C@@H]1CC[C@H]1CN
InChI
InChI=1S/C9H19NO/c1-9(2,3)11-8-5-4-7(8)6-10/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1
InChIKey
BCPWKBKIOFUMTD-JGVFFNPUSA-N
Compound name
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.8
[M+Na]+ 180.13589 142.5
[M-H]- 156.13939 140.8
[M+NH4]+ 175.18049 152.2
[M+K]+ 196.10983 145.0
[M+H-H2O]+ 140.14393 127.7
[M+HCOO]- 202.14487 157.9
[M+CH3COO]- 216.16052 184.5
[M+Na-2H]- 178.12134 142.0
[M]+ 157.14612 145.3
[M]- 157.14722 145.3
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

No patent data available for this compound.