CID 62773739

1-(cyclopropylamino)-3,3-dimethylbutan-2-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)C(CNC1CC1)O
InChI
InChI=1S/C9H19NO/c1-9(2,3)8(11)6-10-7-4-5-7/h7-8,10-11H,4-6H2,1-3H3
InChIKey
WBYHBNSUFOOVLX-UHFFFAOYSA-N
Compound name
1-(cyclopropylamino)-3,3-dimethylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 134.8
[M+Na]+ 180.135888 141.8
[M-H]- 156.139394 138.0
[M+NH4]+ 175.180493 150.3
[M+K]+ 196.109828 139.7
[M+H-H2O]+ 140.143930 129.6
[M+HCOO]- 202.144871 155.4
[M+CH3COO]- 216.160521 182.6
[M+Na-2H]- 178.121336 140.3
[M]+ 157.14612142 136.1
[M]- 157.14721858 136.1
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

No patent data available for this compound.