CID 16788372

953748-38-4

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CC1CN(CCO1)CC(CN)O
InChI
InChI=1S/C8H18N2O2/c1-7-5-10(2-3-12-7)6-8(11)4-9/h7-8,11H,2-6,9H2,1H3
InChIKey
CLKHDYYXEMBJCU-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methylmorpholin-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.13683 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 141.8
[M+Na]+ 197.12605 145.9
[M-H]- 173.12955 141.9
[M+NH4]+ 192.17065 158.0
[M+K]+ 213.09999 145.8
[M+H-H2O]+ 157.13409 135.0
[M+HCOO]- 219.13503 158.3
[M+CH3COO]- 233.15068 179.7
[M+Na-2H]- 195.11150 145.1
[M]+ 174.13628 137.1
[M]- 174.13738 137.1
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

No patent data available for this compound.