CID 422780

1-propanol, 2-methyl-2-(methylamino)-

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(C)(CO)NC
InChI
InChI=1S/C5H13NO/c1-5(2,4-7)6-3/h6-7H,4H2,1-3H3
InChIKey
LHYBRZAQMRWQOJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(methylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

617
Patents

103.09972 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.1
[M+Na]+ 126.08894 128.9
[M-H]- 102.09244 121.4
[M+NH4]+ 121.13354 144.6
[M+K]+ 142.06288 128.8
[M+H-H2O]+ 86.096980 118.3
[M+HCOO]- 148.09792 144.4
[M+CH3COO]- 162.11357 168.5
[M+Na-2H]- 124.07439 130.0
[M]+ 103.09917 121.2
[M]- 103.10027 121.2
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