CID 53401365

Tert-butyl 1,3-diazinane-1-carboxylate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCCNC1
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-5-10-7-11/h10H,4-7H2,1-3H3
InChIKey
DSAFUUFVQNUZMS-UHFFFAOYSA-N
Compound name
tert-butyl 1,3-diazinane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

186.13683 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 145.3
[M+Na]+ 209.126048 149.9
[M-H]- 185.129554 143.9
[M+NH4]+ 204.170653 161.6
[M+K]+ 225.099988 148.9
[M+H-H2O]+ 169.134090 138.7
[M+HCOO]- 231.135031 159.5
[M+CH3COO]- 245.150681 177.5
[M+Na-2H]- 207.111496 149.5
[M]+ 186.13628142 140.9
[M]- 186.13737858 140.9
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