CID 127414123

1,3,3-trimethyl-1-[(oxolan-3-yl)methyl]urea

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CN(C)C(=O)N(C)CC1CCOC1
InChI
InChI=1S/C9H18N2O2/c1-10(2)9(12)11(3)6-8-4-5-13-7-8/h8H,4-7H2,1-3H3
InChIKey
DIYGHSOKDCRHON-UHFFFAOYSA-N
Compound name
1,1,3-trimethyl-3-(oxolan-3-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 145.4
[M+Na]+ 209.12605 149.3
[M-H]- 185.12955 151.7
[M+NH4]+ 204.17065 166.0
[M+K]+ 225.09999 152.4
[M+H-H2O]+ 169.13409 138.8
[M+HCOO]- 231.13503 169.4
[M+CH3COO]- 245.15068 191.6
[M+Na-2H]- 207.11150 148.0
[M]+ 186.13628 146.0
[M]- 186.13738 146.0
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.