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

97
Patents

115.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.1
[M+Na]+ 138.08894 130.5
[M-H]- 114.09244 125.2
[M+NH4]+ 133.13354 139.0
[M+K]+ 154.06288 128.4
[M+H-H2O]+ 98.096980 117.3
[M+HCOO]- 160.09792 144.0
[M+CH3COO]- 174.11357 173.1
[M+Na-2H]- 136.07439 129.4
[M]+ 115.09917 122.1
[M]- 115.10027 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