CID 29376

1,1,3-triethylurea

Structural Information

Molecular Formula
C7H16N2O
SMILES
CCNC(=O)N(CC)CC
InChI
InChI=1S/C7H16N2O/c1-4-8-7(10)9(5-2)6-3/h4-6H2,1-3H3,(H,8,10)
InChIKey
HJKYLTYAGGYRAZ-UHFFFAOYSA-N
Compound name
1,1,3-triethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

144.12627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 134.3
[M+Na]+ 167.11549 139.8
[M-H]- 143.11899 136.0
[M+NH4]+ 162.16009 156.0
[M+K]+ 183.08943 141.0
[M+H-H2O]+ 127.12353 128.7
[M+HCOO]- 189.12447 159.8
[M+CH3COO]- 203.14012 183.9
[M+Na-2H]- 165.10094 139.2
[M]+ 144.12572 135.5
[M]- 144.12682 135.5
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