CID 24729719

3-amino-3-cyclopropylpropan-1-ol hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
C1CC1C(CCO)N
InChI
InChI=1S/C6H13NO/c7-6(3-4-8)5-1-2-5/h5-6,8H,1-4,7H2
InChIKey
UELSFEZAVWXJFT-UHFFFAOYSA-N
Compound name
3-amino-3-cyclopropylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

115.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 122.1
[M+Na]+ 138.088938 129.9
[M-H]- 114.092444 125.0
[M+NH4]+ 133.133543 138.8
[M+K]+ 154.062878 127.7
[M+H-H2O]+ 98.096980 116.7
[M+HCOO]- 160.097921 144.6
[M+CH3COO]- 174.113571 173.6
[M+Na-2H]- 136.074386 127.6
[M]+ 115.09917142 121.9
[M]- 115.10026858 121.9
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