CID 137945042

2287301-76-0

Structural Information

Molecular Formula
C13H26N2O4
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)(OC)OC)CN
InChI
InChI=1S/C13H26N2O4/c1-11(2,3)19-10(16)15-9-12(8-14)6-13(7-12,17-4)18-5/h6-9,14H2,1-5H3,(H,15,16)
InChIKey
KATQXRGJDUXYOF-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(aminomethyl)-3,3-dimethoxycyclobutyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.18927 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19655 169.6
[M+Na]+ 297.17849 172.6
[M-H]- 273.18199 172.1
[M+NH4]+ 292.22309 182.3
[M+K]+ 313.15243 176.3
[M+H-H2O]+ 257.18653 160.4
[M+HCOO]- 319.18747 188.7
[M+CH3COO]- 333.20312 205.1
[M+Na-2H]- 295.16394 173.2
[M]+ 274.18872 180.9
[M]- 274.18982 180.9
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

No patent data available for this compound.