CID 21709941

220642-10-4

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)NC1CCOCC1
InChI
InChI=1S/C8H17NO/c1-7(2)9-8-3-5-10-6-4-8/h7-9H,3-6H2,1-2H3
InChIKey
ABKJVDAMVQXXSZ-UHFFFAOYSA-N
Compound name
N-propan-2-yloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.3
[M+Na]+ 166.12023 136.9
[M-H]- 142.12373 136.6
[M+NH4]+ 161.16483 152.9
[M+K]+ 182.09417 137.8
[M+H-H2O]+ 126.12827 127.5
[M+HCOO]- 188.12921 153.1
[M+CH3COO]- 202.14486 177.0
[M+Na-2H]- 164.10568 139.0
[M]+ 143.13046 129.2
[M]- 143.13156 129.2
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