CID 21109692

1-amino-2-cyclopropylpropan-2-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(CN)(C1CC1)O
InChI
InChI=1S/C6H13NO/c1-6(8,4-7)5-2-3-5/h5,8H,2-4,7H2,1H3
InChIKey
PSDJRLLXPKWQLH-UHFFFAOYSA-N
Compound name
1-amino-2-cyclopropylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

115.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 122.1
[M+Na]+ 138.088938 130.5
[M-H]- 114.092444 125.2
[M+NH4]+ 133.133543 139.0
[M+K]+ 154.062878 128.4
[M+H-H2O]+ 98.096980 117.3
[M+HCOO]- 160.097921 144.0
[M+CH3COO]- 174.113571 173.1
[M+Na-2H]- 136.074386 129.4
[M]+ 115.09917142 122.1
[M]- 115.10026858 122.1
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

patents stripe