CID 56760824

1244059-91-3

Structural Information

Molecular Formula
C8H17N3O3
SMILES
CC(C)(C)OC(=O)NCC/C(=N/O)/N
InChI
InChI=1S/C8H17N3O3/c1-8(2,3)14-7(12)10-5-4-6(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKey
UTRZCIJAPSBNIF-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.127 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.134276 146.8
[M+Na]+ 226.116218 151.3
[M-H]- 202.119724 146.5
[M+NH4]+ 221.160823 164.7
[M+K]+ 242.090158 151.8
[M+H-H2O]+ 186.124260 140.9
[M+HCOO]- 248.125201 169.9
[M+CH3COO]- 262.140851 191.2
[M+Na-2H]- 224.101666 150.6
[M]+ 203.12645142 146.0
[M]- 203.12754858 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

patents stripe