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

63
Patents

186.13683 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 145.3
[M+Na]+ 209.12605 149.9
[M-H]- 185.12955 143.9
[M+NH4]+ 204.17065 161.6
[M+K]+ 225.09999 148.9
[M+H-H2O]+ 169.13409 138.7
[M+HCOO]- 231.13503 159.5
[M+CH3COO]- 245.15068 177.5
[M+Na-2H]- 207.11150 149.5
[M]+ 186.13628 140.9
[M]- 186.13738 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