CID 86826

N,n-bis(2,3-epoxypropyl)isopropylamine

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(C)N(CC1CO1)CC2CO2
InChI
InChI=1S/C9H17NO2/c1-7(2)10(3-8-5-11-8)4-9-6-12-9/h7-9H,3-6H2,1-2H3
InChIKey
DXAUPHVMJXKRRE-UHFFFAOYSA-N
Compound name
N,N-bis(oxiran-2-ylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

171.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 148.0
[M+Na]+ 194.115148 154.3
[M-H]- 170.118654 157.5
[M+NH4]+ 189.159753 155.2
[M+K]+ 210.089088 156.7
[M+H-H2O]+ 154.123190 140.8
[M+HCOO]- 216.124131 167.2
[M+CH3COO]- 230.139781 198.1
[M+Na-2H]- 192.100596 152.4
[M]+ 171.12538142 155.0
[M]- 171.12647858 155.0
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