CID 165615766

En300-1809623

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)(CO)[C@@H]1C[C@H]1N
InChI
InChI=1S/C7H15NO/c1-7(2,4-9)5-3-6(5)8/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/m1/s1
InChIKey
DUOJILINRUOALT-PHDIDXHHSA-N
Compound name
2-[(1S,2R)-2-aminocyclopropyl]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.11537 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 126.0
[M+Na]+ 152.10459 134.9
[M-H]- 128.10809 129.3
[M+NH4]+ 147.14919 142.6
[M+K]+ 168.07853 132.4
[M+H-H2O]+ 112.11263 121.3
[M+HCOO]- 174.11357 147.5
[M+CH3COO]- 188.12922 177.1
[M+Na-2H]- 150.09004 132.1
[M]+ 129.11482 126.7
[M]- 129.11592 126.7
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.