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]+ 187.144106 140.9
[M+Na]+ 209.126048 148.8
[M-H]- 185.129554 145.3
[M+NH4]+ 204.170653 155.7
[M+K]+ 225.099988 146.6
[M+H-H2O]+ 169.134090 135.4
[M+HCOO]- 231.135031 163.7
[M+CH3COO]- 245.150681 190.2
[M+Na-2H]- 207.111496 145.5
[M]+ 186.13628142 143.3
[M]- 186.13737858 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.