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

260
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 133.3
[M+Na]+ 166.120228 136.9
[M-H]- 142.123734 136.6
[M+NH4]+ 161.164833 152.9
[M+K]+ 182.094168 137.8
[M+H-H2O]+ 126.128270 127.5
[M+HCOO]- 188.129211 153.1
[M+CH3COO]- 202.144861 177.0
[M+Na-2H]- 164.105676 139.0
[M]+ 143.13046142 129.2
[M]- 143.13155858 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