CID 25324121

1212311-78-8

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CN
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(7)5-10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
InChIKey
CYNGHIIXUHRJOA-RQJHMYQMSA-N
Compound name
tert-butyl N-[(1S,2R)-2-(aminomethyl)cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 140.9
[M+Na]+ 209.12605 148.8
[M-H]- 185.12955 145.3
[M+NH4]+ 204.17065 155.7
[M+K]+ 225.09999 146.6
[M+H-H2O]+ 169.13409 135.4
[M+HCOO]- 231.13503 163.7
[M+CH3COO]- 245.15068 190.2
[M+Na-2H]- 207.11150 145.5
[M]+ 186.13628 143.3
[M]- 186.13738 143.3
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.