CID 37511

1-dimethylamino-2-propanol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(CN(C)C)O
InChI
InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
InChIKey
NCXUNZWLEYGQAH-UHFFFAOYSA-N
Compound name
1-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

8666
Patents

103.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 121.5
[M+Na]+ 126.08894 130.8
[M+NH4]+ 121.13354 129.7
[M+K]+ 142.06288 126.6
[M-H]- 102.09244 121.5
[M+Na-2H]- 124.07439 125.4
[M]+ 103.09917 122.5
[M]- 103.10027 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe