CID 44653

1,3-butanediol, 2-propyl-, dicarbamate

Structural Information

Molecular Formula
C9H18N2O4
SMILES
CCCC(COC(=O)N)C(C)OC(=O)N
InChI
InChI=1S/C9H18N2O4/c1-3-4-7(5-14-8(10)12)6(2)15-9(11)13/h6-7H,3-5H2,1-2H3,(H2,10,12)(H2,11,13)
InChIKey
YXGDVAFWTHMZRW-UHFFFAOYSA-N
Compound name
2-(1-carbamoyloxyethyl)pentyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.133936 151.9
[M+Na]+ 241.115878 155.8
[M-H]- 217.119384 150.7
[M+NH4]+ 236.160483 168.9
[M+K]+ 257.089818 156.8
[M+H-H2O]+ 201.123920 145.6
[M+HCOO]- 263.124861 172.9
[M+CH3COO]- 277.140511 193.4
[M+Na-2H]- 239.101326 150.6
[M]+ 218.12611142 152.2
[M]- 218.12720858 152.2
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

patents stripe