CID 62315077

3-amino-2-(cyclopropylmethyl)propan-1-ol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC1CC(CN)CO
InChI
InChI=1S/C7H15NO/c8-4-7(5-9)3-6-1-2-6/h6-7,9H,1-5,8H2
InChIKey
IZKPVKQWPXRXDT-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-cyclopropylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

129.11537 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 126.3
[M+Na]+ 152.10459 133.7
[M-H]- 128.10809 129.1
[M+NH4]+ 147.14919 142.4
[M+K]+ 168.07853 131.3
[M+H-H2O]+ 112.11263 120.7
[M+HCOO]- 174.11357 148.5
[M+CH3COO]- 188.12922 176.5
[M+Na-2H]- 150.09004 131.3
[M]+ 129.11482 126.5
[M]- 129.11592 126.5
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