CID 119379

146092-05-9

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CC(C)C1O[C@@H]([C@H](O1)CN)CN
InChI
InChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m1/s1
InChIKey
UUOFRXDFODYHPC-RNFRBKRXSA-N
Compound name
[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

174.13683 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 143.1
[M+Na]+ 197.12605 148.6
[M-H]- 173.12955 146.7
[M+NH4]+ 192.17065 161.6
[M+K]+ 213.09999 149.6
[M+H-H2O]+ 157.13409 137.4
[M+HCOO]- 219.13503 163.9
[M+CH3COO]- 233.15068 185.1
[M+Na-2H]- 195.11150 145.2
[M]+ 174.13628 141.0
[M]- 174.13738 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe