CID 22263

1,3-bis(dimethylamino)-2-propanol

Structural Information

Molecular Formula
C7H18N2O
SMILES
CN(C)CC(CN(C)C)O
InChI
InChI=1S/C7H18N2O/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3
InChIKey
JGVZJRHAZOBPMW-UHFFFAOYSA-N
Compound name
1,3-bis(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

1422
Patents

146.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.14918 136.0
[M+Na]+ 169.13112 140.7
[M-H]- 145.13462 137.6
[M+NH4]+ 164.17572 157.4
[M+K]+ 185.10506 143.0
[M+H-H2O]+ 129.13916 130.2
[M+HCOO]- 191.14010 160.2
[M+CH3COO]- 205.15575 187.2
[M+Na-2H]- 167.11657 139.5
[M]+ 146.14135 137.3
[M]- 146.14245 137.3
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